2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanyl-N-phenylacetamide
TL;DR: 2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanyl-N-phenylacetamide (CAS 330990-69-7) is a chemical compound with molecular formula C17H17N5O3S and molecular weight 371.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanyl-N-phenylacetamide
Also Known As: BAS 00316213, AB01309740-01, 2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanyl-N-phenylacetamide, 2-{[3-methyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-phenylacetamide, 2-((7-allyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-phenylacetamide
| Molecular Formula | C17H17N5O3S |
|---|---|
| Molecular Weight | 371.11 g/mol |
| LogP | 1.3401 |
| Topological Polar Surface Area | 101.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 371.10522 |
| Heavy Atoms | 26 |
| Complexity | 1081.4568 |
Chemical Identifiers
| CAS Number | 330990-69-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)NC3=CC=CC=C3)CC=C |
Product Overview
2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanyl-N-phenylacetamide (CAS 330990-69-7), with molecular formula C17H17N5O3S and molecular weight 371.11 g/mol. IUPAC: 2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanyl-N-phenylacetamide.
Chemical Property Profile of 2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanyl-N-phenylacetamide
Property Insights of 2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanyl-N-phenylacetamide
The XLogP value of 1.3401 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanyl-N-phenylacetamide. The TPSA of 101.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanyl-N-phenylacetamide. Following Lipinski's Rule of Five, 2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanyl-N-phenylacetamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanyl-N-phenylacetamide?
The CAS number of 2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanyl-N-phenylacetamide is 330990-69-7.
What is the molecular formula of 2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanyl-N-phenylacetamide?
The molecular formula of 2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanyl-N-phenylacetamide is C17H17N5O3S.
What is the molecular weight of 2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanyl-N-phenylacetamide?
The molecular weight of 2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanyl-N-phenylacetamide is 371.11 g/mol.
Where can I buy 2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanyl-N-phenylacetamide?
You can request a quote for 2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanyl-N-phenylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanyl-N-phenylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanyl-N-phenylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.